N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide

C19H18BrN3O2 — CID 55414888

IUPACN-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2/c1-2-16(13-7-9-14(20)10-8-13)22-19(25)12-23-17-6-4-3-5-15(17)18(24)11-21-23/h3-11,16H,2,12H2,1H3,(H,22,25)
InChIKeyZGYNPTHQNQZBBS-UHFFFAOYSA-N
MW400.28 g/mol
LogP3.43
Rot. Bonds5

About N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55414888) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55414888
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2/c1-2-16(13-7-9-14(20)10-8-13)22-19(25)12-23-17-6-4-3-5-15(17)18(24)11-21-23/h3-11,16H,2,12H2,1H3,(H,22,25)
InChIKeyZGYNPTHQNQZBBS-UHFFFAOYSA-N
XLogP3.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55656292
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529253
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 42896905
1-(2-oxopentyl)cinnolin-4-one
CID 62043361
2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
CID 55428094
N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254964
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9089700
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
2-(4-oxocinnolin-1-yl)acetate
CID 7131157

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 55414888) is N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide is CCC(NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is ZGYNPTHQNQZBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-2-16(13-7-9-14(20)10-8-13)22-19(25)12-23-17-6-4-3-5-15(17)18(24)11-21-23/h3-11,16H,2,12H2,1H3,(H,22,25).
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 400.28 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55414888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).